A study of electronic spectra of furazan and its mono-methyl derivative by RINDO/S-CI method (Revised)

摘要

The electronic spectra of five membered ring structured furazan and its mono-methyl derivative have been studied here by using RINDOIS-CI technique in calculating their IP's, S → S and S → T transition's excitation and spliting energies in terms of valence and Rydberg excitations. The results predicted by such calculation have been found to be in good agreement with their corresponding experimental datas.